Project name: 2250019a53bcac9

Status: done

Started: 2026-07-09 09:14:04
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Chain sequence(s) A: GREEEILERARELRERAEEAIRFLDENADEPWAAGPLGQMLRDIAEAIIRIAEAVELLLEPPTEERVERALELIAEAWALALAAILELLLVKKVEVKRKQNGDDSPPTQEEIEAAREEAEKMREEFEKLLEEVKKEGPLTEVEHVLKLLEKFLKYLDKIIELAEELASIDPDNELAKNILEAAKKLKELFEKLIEELKKSPEWLLVLAETVLEAAETLYDLIVKPALEAYKA
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage No
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:02)
Show buried residues

Minimal score value
-4.4801
Maximal score value
0.0
Average score
-1.4806
Total score value
-343.49

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan3D score mutation
residue index residue name chain Aggrescan3D score
mutation
1 G A -2.5813
2 R A -3.1091
3 E A -4.0250
4 E A -4.2678
5 E A -4.3774
6 I A 0.0000
7 L A -3.2806
8 E A -4.3100
9 R A -3.7588
10 A A 0.0000
11 R A -4.2632
12 E A -4.3148
13 L A 0.0000
14 R A -3.8624
15 E A -4.1541
16 R A -3.5636
17 A A 0.0000
18 E A -3.0809
19 E A -3.5842
20 A A 0.0000
21 I A -2.5275
22 R A -3.5065
23 F A -2.4891
24 L A 0.0000
25 D A -3.4842
26 E A -3.4051
27 N A -2.7009
28 A A -2.4478
29 D A -2.7461
30 E A -2.0764
31 P A -1.0040
32 W A -0.4456
33 A A -1.1518
34 A A -0.9350
35 G A -0.3295
36 P A -0.5837
37 L A -0.1642
38 G A 0.0000
39 Q A -0.8187
40 M A 0.0000
41 L A 0.0000
42 R A -1.1443
43 D A -0.6796
44 I A 0.0000
45 A A 0.0000
46 E A -0.9785
47 A A 0.0000
48 I A 0.0000
49 I A -1.6142
50 R A -1.4458
51 I A 0.0000
52 A A 0.0000
53 E A -1.5113
54 A A 0.0000
55 V A 0.0000
56 E A -1.3003
57 L A -0.6303
58 L A 0.0000
59 L A -0.8937
60 E A -1.4613
61 P A -0.9711
62 P A -1.4254
63 T A -2.1176
64 E A -3.1297
65 E A -3.3285
66 R A -2.8229
67 V A 0.0000
68 E A 0.0000
69 R A -1.7138
70 A A 0.0000
71 L A 0.0000
72 E A -0.9291
73 L A -0.2154
74 I A 0.0000
75 A A 0.0000
76 E A -1.0662
77 A A 0.0000
78 W A 0.0000
79 A A 0.0000
80 L A 0.0000
81 A A 0.0000
82 L A 0.0000
83 A A 0.0000
84 A A 0.0000
85 I A 0.0000
86 L A 0.0000
87 E A 0.0000
88 L A 0.0000
89 L A 0.0000
90 L A -0.2189
91 V A 0.0000
92 K A -0.4178
93 K A -0.6433
94 V A -0.6361
95 E A -1.6173
96 V A -1.5917
97 K A -2.2901
98 R A -2.8783
99 K A -3.3060
100 Q A -3.1084
101 N A -3.1708
102 G A -3.1104
103 D A -3.6962
104 D A -3.4741
105 S A -1.9406
106 P A -1.3788
107 P A 0.0000
108 T A -1.5185
109 Q A -2.4487
110 E A -2.9868
111 E A -2.0281
112 I A -1.9770
113 E A -2.8343
114 A A -2.3628
115 A A 0.0000
116 R A -3.0793
117 E A -3.6595
118 E A -2.9914
119 A A 0.0000
120 E A -3.3558
121 K A -3.7854
122 M A 0.0000
123 R A -2.8197
124 E A -3.2250
125 E A -2.8259
126 F A 0.0000
127 E A -3.0428
128 K A -3.6462
129 L A -2.5856
130 L A 0.0000
131 E A -4.3769
132 E A -4.4801
133 V A 0.0000
134 K A -4.0537
135 K A -4.1970
136 E A -3.7443
137 G A -2.5938
138 P A -2.0563
139 L A 0.0000
140 T A -1.4016
141 E A -1.3629
142 V A -1.3003
143 E A -2.2294
144 H A 0.0000
145 V A 0.0000
146 L A -1.6745
147 K A -1.3883
148 L A 0.0000
149 L A 0.0000
150 E A -2.2014
151 K A -1.7623
152 F A 0.0000
153 L A -2.1114
154 K A -2.4606
155 Y A 0.0000
156 L A 0.0000
157 D A -2.1229
158 K A -1.9843
159 I A 0.0000
160 I A -2.1152
161 E A -2.5794
162 L A -1.5800
163 A A 0.0000
164 E A -2.4308
165 E A -1.7354
166 L A 0.0000
167 A A -1.6554
168 S A -0.9903
169 I A -0.8608
170 D A -1.8454
171 P A -1.9076
172 D A -2.6788
173 N A -2.2540
174 E A -2.7244
175 L A -1.4374
176 A A 0.0000
177 K A -2.4654
178 N A -1.7988
179 I A 0.0000
180 L A -1.9938
181 E A -2.3362
182 A A 0.0000
183 A A 0.0000
184 K A -2.5722
185 K A -2.4753
186 L A 0.0000
187 K A -2.8556
188 E A -3.3465
189 L A 0.0000
190 F A 0.0000
191 E A -3.3593
192 K A -3.4873
193 L A 0.0000
194 I A -2.6084
195 E A -3.4829
196 E A -2.8899
197 L A 0.0000
198 K A -3.2543
199 K A -3.2207
200 S A -2.2181
201 P A -1.7070
202 E A -1.8225
203 W A -1.1638
204 L A -0.1315
205 L A -0.6699
206 V A -0.2751
207 L A 0.0000
208 A A 0.0000
209 E A -1.0115
210 T A -0.6379
211 V A 0.0000
212 L A 0.0000
213 E A -1.1000
214 A A 0.0000
215 A A 0.0000
216 E A -1.2475
217 T A -1.0032
218 L A 0.0000
219 Y A 0.0000
220 D A -1.5408
221 L A -0.8335
222 I A 0.0000
223 V A 0.0000
224 K A -1.5294
225 P A -1.3044
226 A A -0.9936
227 L A 0.0000
228 E A -1.8119
229 A A -1.0906
230 Y A -0.8024
231 K A -1.8703
232 A A -0.9017
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Laboratory of Theory of Biopolymers 2018